ethyl 2-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-5-phenoxy-benzoate

Systemtic Name: ethyl 2-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-5-phenoxy-benzoate Openeye Name: ethyl 2-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-5-phenoxy-benzoate CAS Name: 2-(4-amino-7-tert-butyl-5-pyrrolo[2,3-d]pyrimidinyl)-5-phenoxybenzoic acid ethyl ester IUPAC Name: ethyl 2-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-5-phenoxybenzoate Traditional Name: 2-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-5-phenoxy-benzoic acid ethyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)OC2=CC=CC=C2)C3=CN(C4=C3C(=NC=N4)N)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)OC2=CC=CC=C2)C3=CN(C4=C3C(=NC=N4)N)C(C)(C)C

InChI

InChI=1S/C25H26N4O3/c1-5-31-24(30)19-13-17(32-16-9-7-6-8-10-16)11-12-18(19)20-14-29(25(2,3)4)23-21(20)22(26)27-15-28-23/h6-15H,5H2,1-4H3,(H2,26,27,28)